Summary

IMPPAT Phytochemical identifier: IMPHY005324

Phytochemical name: Mesuaxanthone A

Synonymous chemical names:
1,5-dihydroxy-3-methoxy-xanthone, 1,5-dihydroxy-3-methoxy-xanthones, 1,5-dihydroxy-3-methoxyxanthone, mesuaxanthone a, mesuaxanthones a

External chemical identifiers:
CID:5281651, ChEMBL:CHEMBL363747, ChEBI:6785, ZINC:ZINC000006483511, MolPort-035-706-472

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Chemical structure information

SMILES:
COc1cc(O)c2c(c1)oc1c(c2=O)cccc1O

InChI:
InChI=1S/C14H10O5/c1-18-7-5-10(16)12-11(6-7)19-14-8(13(12)17)3-2-4-9(14)15/h2-6,15-16H,1H3

InChIKey:
IQIGECASJMDDMD-UHFFFAOYSA-N

DeepSMILES:
COcccO)ccc6)occc6=O))cccc6O

Functional groups:
c=O, cO, cOC, coc

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=c1c2ccccc2oc2ccccc12

Scaffold Graph/Node level:
OC1C2CCCCC2OC2CCCCC21

Scaffold Graph level:
CC1C2CCCCC2CC2CCCCC21

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Benzopyrans

ClassyFire Subclass: 1-benzopyrans

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Xanthones

NP Classifier Class: Plant xanthones

NP-Likeness score: 1.285

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Chemical structure download